USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 GLN :FLIP amide:sc= -0.0642 F(o=-2.4,f=-0.85) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.79 K(o=-0.85,f=-4.7!) USER MOD Set 2.1: A 131 CYS SG : rot 141:sc= 0.0941 USER MOD Set 2.2: A 136 CYS SG : rot 145:sc= 1.08 USER MOD Set 2.3: A 163 CYS SG : rot -127:sc= 0.187 USER MOD Set 2.4: A 166 CYS SG : rot 151:sc= 1.12 USER MOD Set 3.1: A 121 SER OG : rot 110:sc= -0.523 USER MOD Set 3.2: A 123 MET CE :methyl -121:sc= 0 (180deg=0) USER MOD Set 4.1: A 117 CYS SG : rot -84:sc= 0.456 USER MOD Set 4.2: A 119 CYS SG : rot -78:sc= -0.298 USER MOD Set 4.3: A 125 ASN : amide:sc= -3.59! C(o=-4.6!,f=-7.5!) USER MOD Set 4.4: A 141 HIS :FLIP no HE2:sc= -0.81 F(o=-6.7,f=-4.6) USER MOD Set 4.5: A 144 CYS SG : rot 180:sc= -0.382 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -47:sc= 0.912 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 156:sc= -0.471 (180deg=-1.98!) USER MOD Single : A 134 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 140 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.777 11.354 -3.917 1.00 0.00 N ATOM 94 CA GLU A 112 -2.164 10.292 -4.838 1.00 0.00 C ATOM 95 C GLU A 112 -1.091 9.209 -4.901 1.00 0.00 C ATOM 96 O GLU A 112 -1.377 8.055 -5.217 1.00 0.00 O ATOM 97 CB GLU A 112 -2.410 10.863 -6.236 1.00 0.00 C ATOM 98 CG GLU A 112 -3.815 11.407 -6.432 1.00 0.00 C ATOM 99 CD GLU A 112 -3.856 12.922 -6.458 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.439 13.510 -7.478 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.305 13.521 -5.458 1.00 0.00 O ATOM 0 HA GLU A 112 -3.087 9.844 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.691 11.660 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.225 10.084 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.223 11.020 -7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.456 11.044 -5.629 1.00 0.00 H new ATOM 108 N ALA A 113 0.146 9.591 -4.598 1.00 0.00 N ATOM 109 CA ALA A 113 1.262 8.654 -4.619 1.00 0.00 C ATOM 110 C ALA A 113 2.039 8.697 -3.307 1.00 0.00 C ATOM 111 O ALA A 113 3.064 9.371 -3.202 1.00 0.00 O ATOM 112 CB ALA A 113 2.183 8.956 -5.791 1.00 0.00 C ATOM 0 H ALA A 113 0.400 10.543 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 113 0.858 7.649 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.012 8.248 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.626 8.867 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.572 9.970 -5.696 1.00 0.00 H new ATOM 118 N LYS A 114 1.545 7.973 -2.308 1.00 0.00 N ATOM 119 CA LYS A 114 2.193 7.928 -1.003 1.00 0.00 C ATOM 120 C LYS A 114 2.562 6.496 -0.628 1.00 0.00 C ATOM 121 O LYS A 114 1.690 5.664 -0.380 1.00 0.00 O ATOM 122 CB LYS A 114 1.275 8.525 0.066 1.00 0.00 C ATOM 123 CG LYS A 114 1.768 8.302 1.486 1.00 0.00 C ATOM 124 CD LYS A 114 1.056 9.211 2.473 1.00 0.00 C ATOM 125 CE LYS A 114 -0.255 8.602 2.946 1.00 0.00 C ATOM 126 NZ LYS A 114 -1.169 9.629 3.518 1.00 0.00 N ATOM 0 H LYS A 114 0.698 7.409 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 114 3.108 8.518 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.174 9.596 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.281 8.090 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.608 7.261 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.842 8.484 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.703 9.396 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.862 10.176 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.746 8.104 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.051 7.839 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.051 9.174 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.711 10.087 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.385 10.344 2.794 1.00 0.00 H new ATOM 140 N VAL A 115 3.861 6.216 -0.588 1.00 0.00 N ATOM 141 CA VAL A 115 4.346 4.886 -0.241 1.00 0.00 C ATOM 142 C VAL A 115 4.368 4.685 1.270 1.00 0.00 C ATOM 143 O VAL A 115 5.204 5.257 1.970 1.00 0.00 O ATOM 144 CB VAL A 115 5.760 4.640 -0.801 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.159 3.183 -0.623 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.831 5.046 -2.265 1.00 0.00 C ATOM 0 H VAL A 115 4.596 6.893 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 115 3.656 4.171 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 115 6.465 5.255 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.161 3.028 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.150 2.930 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.453 2.545 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.837 4.865 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.115 4.459 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.592 6.105 -2.361 1.00 0.00 H new ATOM 156 N ARG A 116 3.444 3.870 1.767 1.00 0.00 N ATOM 157 CA ARG A 116 3.356 3.594 3.196 1.00 0.00 C ATOM 158 C ARG A 116 3.326 2.092 3.458 1.00 0.00 C ATOM 159 O ARG A 116 2.261 1.474 3.474 1.00 0.00 O ATOM 160 CB ARG A 116 2.108 4.251 3.788 1.00 0.00 C ATOM 161 CG ARG A 116 2.394 5.552 4.521 1.00 0.00 C ATOM 162 CD ARG A 116 2.329 5.367 6.029 1.00 0.00 C ATOM 163 NE ARG A 116 2.267 6.644 6.735 1.00 0.00 N ATOM 164 CZ ARG A 116 2.222 6.751 8.058 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.234 5.663 8.815 1.00 0.00 N ATOM 166 NH2 ARG A 116 2.167 7.949 8.627 1.00 0.00 N ATOM 0 H ARG A 116 2.745 3.389 1.201 1.00 0.00 H new ATOM 0 HA ARG A 116 4.241 4.012 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.395 4.444 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.632 3.553 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.381 5.920 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.673 6.310 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.454 4.769 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.204 4.810 6.364 1.00 0.00 H new ATOM 0 HE ARG A 116 2.258 7.501 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.278 4.741 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.199 5.748 9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.159 8.789 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.132 8.030 9.643 1.00 0.00 H new ATOM 180 N CYS A 117 4.503 1.509 3.665 1.00 0.00 N ATOM 181 CA CYS A 117 4.613 0.079 3.926 1.00 0.00 C ATOM 182 C CYS A 117 5.019 -0.180 5.374 1.00 0.00 C ATOM 183 O CYS A 117 5.599 0.686 6.031 1.00 0.00 O ATOM 184 CB CYS A 117 5.631 -0.557 2.978 1.00 0.00 C ATOM 185 SG CYS A 117 5.542 -2.375 2.902 1.00 0.00 S ATOM 0 H CYS A 117 5.394 2.006 3.657 1.00 0.00 H new ATOM 0 HA CYS A 117 3.636 -0.372 3.755 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.480 -0.154 1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.634 -0.266 3.290 1.00 0.00 H new ATOM 0 HG CYS A 117 6.229 -2.884 3.881 1.00 0.00 H new ATOM 190 N ILE A 118 4.710 -1.375 5.865 1.00 0.00 N ATOM 191 CA ILE A 118 5.044 -1.748 7.234 1.00 0.00 C ATOM 192 C ILE A 118 6.548 -1.669 7.474 1.00 0.00 C ATOM 193 O ILE A 118 7.001 -1.553 8.613 1.00 0.00 O ATOM 194 CB ILE A 118 4.557 -3.171 7.565 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.147 -4.179 6.576 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.037 -3.228 7.544 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.734 -5.608 6.851 1.00 0.00 C ATOM 0 H ILE A 118 4.229 -2.102 5.335 1.00 0.00 H new ATOM 0 HA ILE A 118 4.536 -1.038 7.887 1.00 0.00 H new ATOM 0 HB ILE A 118 4.898 -3.432 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.839 -3.908 5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.234 -4.111 6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.708 -4.240 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.637 -2.535 8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.676 -2.950 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.189 -6.267 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.066 -5.897 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.649 -5.691 6.792 1.00 0.00 H new ATOM 209 N CYS A 119 7.318 -1.731 6.393 1.00 0.00 N ATOM 210 CA CYS A 119 8.772 -1.666 6.484 1.00 0.00 C ATOM 211 C CYS A 119 9.249 -0.217 6.538 1.00 0.00 C ATOM 212 O CYS A 119 10.442 0.050 6.675 1.00 0.00 O ATOM 213 CB CYS A 119 9.411 -2.381 5.292 1.00 0.00 C ATOM 214 SG CYS A 119 9.029 -1.625 3.679 1.00 0.00 S ATOM 0 H CYS A 119 6.959 -1.826 5.443 1.00 0.00 H new ATOM 0 HA CYS A 119 9.077 -2.165 7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.492 -2.395 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.077 -3.419 5.283 1.00 0.00 H new ATOM 0 HG CYS A 119 7.827 -1.961 3.316 1.00 0.00 H new ATOM 219 N SER A 120 8.307 0.714 6.429 1.00 0.00 N ATOM 220 CA SER A 120 8.630 2.136 6.462 1.00 0.00 C ATOM 221 C SER A 120 9.713 2.470 5.440 1.00 0.00 C ATOM 222 O SER A 120 10.601 3.281 5.704 1.00 0.00 O ATOM 223 CB SER A 120 9.091 2.544 7.863 1.00 0.00 C ATOM 224 OG SER A 120 10.458 2.228 8.061 1.00 0.00 O ATOM 0 H SER A 120 7.314 0.510 6.317 1.00 0.00 H new ATOM 0 HA SER A 120 7.729 2.694 6.207 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.938 3.614 8.003 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.484 2.035 8.612 1.00 0.00 H new ATOM 0 HG SER A 120 10.628 1.310 7.764 1.00 0.00 H new ATOM 230 N SER A 121 9.631 1.839 4.273 1.00 0.00 N ATOM 231 CA SER A 121 10.606 2.066 3.212 1.00 0.00 C ATOM 232 C SER A 121 9.910 2.424 1.903 1.00 0.00 C ATOM 233 O SER A 121 9.155 1.625 1.347 1.00 0.00 O ATOM 234 CB SER A 121 11.477 0.823 3.017 1.00 0.00 C ATOM 235 OG SER A 121 12.791 1.178 2.622 1.00 0.00 O ATOM 0 H SER A 121 8.900 1.167 4.038 1.00 0.00 H new ATOM 0 HA SER A 121 11.240 2.902 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.515 0.252 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.029 0.176 2.263 1.00 0.00 H new ATOM 0 HG SER A 121 13.414 0.994 3.356 1.00 0.00 H new ATOM 241 N THR A 122 10.169 3.633 1.414 1.00 0.00 N ATOM 242 CA THR A 122 9.567 4.100 0.171 1.00 0.00 C ATOM 243 C THR A 122 10.488 3.841 -1.016 1.00 0.00 C ATOM 244 O THR A 122 10.490 4.597 -1.988 1.00 0.00 O ATOM 245 CB THR A 122 9.240 5.604 0.235 1.00 0.00 C ATOM 246 OG1 THR A 122 10.450 6.370 0.200 1.00 0.00 O ATOM 247 CG2 THR A 122 8.460 5.935 1.498 1.00 0.00 C ATOM 0 H THR A 122 10.792 4.307 1.860 1.00 0.00 H new ATOM 0 HA THR A 122 8.641 3.541 0.038 1.00 0.00 H new ATOM 0 HB THR A 122 8.625 5.857 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.234 7.325 0.239 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.241 7.002 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.526 5.372 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.053 5.668 2.373 1.00 0.00 H new ATOM 255 N MET A 123 11.268 2.769 -0.932 1.00 0.00 N ATOM 256 CA MET A 123 12.192 2.411 -2.001 1.00 0.00 C ATOM 257 C MET A 123 11.475 1.636 -3.102 1.00 0.00 C ATOM 258 O MET A 123 10.270 1.397 -3.023 1.00 0.00 O ATOM 259 CB MET A 123 13.350 1.578 -1.447 1.00 0.00 C ATOM 260 CG MET A 123 12.899 0.387 -0.617 1.00 0.00 C ATOM 261 SD MET A 123 14.216 -0.816 -0.354 1.00 0.00 S ATOM 262 CE MET A 123 15.254 0.067 0.808 1.00 0.00 C ATOM 0 H MET A 123 11.279 2.133 -0.135 1.00 0.00 H new ATOM 0 HA MET A 123 12.589 3.332 -2.428 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.960 1.222 -2.277 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.986 2.217 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.536 0.739 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 123 12.061 -0.101 -1.114 1.00 0.00 H new ATOM 0 HE1 MET A 123 16.252 0.186 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 123 14.824 1.049 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.318 -0.496 1.739 1.00 0.00 H new ATOM 272 N VAL A 124 12.224 1.246 -4.129 1.00 0.00 N ATOM 273 CA VAL A 124 11.660 0.497 -5.246 1.00 0.00 C ATOM 274 C VAL A 124 11.901 -0.999 -5.083 1.00 0.00 C ATOM 275 O VAL A 124 12.809 -1.562 -5.691 1.00 0.00 O ATOM 276 CB VAL A 124 12.256 0.958 -6.589 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.495 0.341 -7.752 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.248 2.477 -6.682 1.00 0.00 C ATOM 0 H VAL A 124 13.223 1.436 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 124 10.587 0.691 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 124 13.290 0.618 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.931 0.679 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.558 -0.746 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.450 0.647 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.673 2.785 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.223 2.841 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.842 2.894 -5.869 1.00 0.00 H new ATOM 288 N ASN A 125 11.079 -1.638 -4.256 1.00 0.00 N ATOM 289 CA ASN A 125 11.203 -3.071 -4.012 1.00 0.00 C ATOM 290 C ASN A 125 11.032 -3.860 -5.306 1.00 0.00 C ATOM 291 O ASN A 125 11.011 -3.288 -6.396 1.00 0.00 O ATOM 292 CB ASN A 125 10.166 -3.525 -2.983 1.00 0.00 C ATOM 293 CG ASN A 125 8.790 -3.714 -3.593 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.208 -2.777 -4.140 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.264 -4.929 -3.502 1.00 0.00 N ATOM 0 H ASN A 125 10.321 -1.187 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 125 12.202 -3.263 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.492 -4.462 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.107 -2.789 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.341 -5.116 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.782 -5.676 -3.040 1.00 0.00 H new ATOM 302 N ASP A 126 10.908 -5.176 -5.178 1.00 0.00 N ATOM 303 CA ASP A 126 10.737 -6.045 -6.337 1.00 0.00 C ATOM 304 C ASP A 126 9.509 -5.636 -7.145 1.00 0.00 C ATOM 305 O ASP A 126 9.520 -5.683 -8.375 1.00 0.00 O ATOM 306 CB ASP A 126 10.609 -7.503 -5.893 1.00 0.00 C ATOM 307 CG ASP A 126 11.849 -8.315 -6.210 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.278 -8.311 -7.383 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.391 -8.955 -5.284 1.00 0.00 O ATOM 0 H ASP A 126 10.923 -5.665 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 126 11.618 -5.943 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.420 -7.538 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.747 -7.955 -6.384 1.00 0.00 H new ATOM 314 N SER A 127 8.452 -5.237 -6.445 1.00 0.00 N ATOM 315 CA SER A 127 7.215 -4.825 -7.097 1.00 0.00 C ATOM 316 C SER A 127 6.315 -4.067 -6.126 1.00 0.00 C ATOM 317 O SER A 127 6.020 -4.549 -5.032 1.00 0.00 O ATOM 318 CB SER A 127 6.474 -6.044 -7.651 1.00 0.00 C ATOM 319 OG SER A 127 5.891 -5.758 -8.910 1.00 0.00 O ATOM 0 H SER A 127 8.428 -5.190 -5.426 1.00 0.00 H new ATOM 0 HA SER A 127 7.473 -4.160 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.166 -6.880 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.699 -6.352 -6.949 1.00 0.00 H new ATOM 0 HG SER A 127 5.425 -6.553 -9.243 1.00 0.00 H new ATOM 325 N MET A 128 5.882 -2.879 -6.534 1.00 0.00 N ATOM 326 CA MET A 128 5.015 -2.054 -5.701 1.00 0.00 C ATOM 327 C MET A 128 3.573 -2.109 -6.197 1.00 0.00 C ATOM 328 O MET A 128 3.313 -2.497 -7.336 1.00 0.00 O ATOM 329 CB MET A 128 5.508 -0.606 -5.691 1.00 0.00 C ATOM 330 CG MET A 128 6.994 -0.473 -5.399 1.00 0.00 C ATOM 331 SD MET A 128 7.608 1.201 -5.672 1.00 0.00 S ATOM 332 CE MET A 128 7.557 1.856 -4.006 1.00 0.00 C ATOM 0 H MET A 128 6.117 -2.466 -7.436 1.00 0.00 H new ATOM 0 HA MET A 128 5.047 -2.448 -4.685 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.294 -0.151 -6.658 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.947 -0.045 -4.943 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.185 -0.762 -4.365 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.548 -1.167 -6.031 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.268 2.677 -3.916 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.553 2.220 -3.789 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.819 1.070 -3.298 1.00 0.00 H new ATOM 342 N ILE A 129 2.641 -1.718 -5.334 1.00 0.00 N ATOM 343 CA ILE A 129 1.226 -1.722 -5.686 1.00 0.00 C ATOM 344 C ILE A 129 0.470 -0.632 -4.935 1.00 0.00 C ATOM 345 O ILE A 129 0.723 -0.388 -3.755 1.00 0.00 O ATOM 346 CB ILE A 129 0.575 -3.085 -5.383 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.933 -3.021 -5.635 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.860 -3.501 -3.948 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.633 -4.349 -5.449 1.00 0.00 C ATOM 0 H ILE A 129 2.840 -1.395 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 129 1.166 -1.530 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 129 1.005 -3.833 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.375 -2.288 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.109 -2.666 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.393 -4.466 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.937 -3.581 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.454 -2.754 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.699 -4.229 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.217 -5.080 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.488 -4.697 -4.426 1.00 0.00 H new ATOM 361 N GLN A 130 -0.460 0.019 -5.626 1.00 0.00 N ATOM 362 CA GLN A 130 -1.254 1.083 -5.023 1.00 0.00 C ATOM 363 C GLN A 130 -2.547 0.530 -4.433 1.00 0.00 C ATOM 364 O GLN A 130 -3.114 -0.435 -4.947 1.00 0.00 O ATOM 365 CB GLN A 130 -1.573 2.161 -6.061 1.00 0.00 C ATOM 366 CG GLN A 130 -2.595 3.181 -5.585 1.00 0.00 C ATOM 367 CD GLN A 130 -2.521 4.485 -6.354 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.520 5.599 -5.632 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.464 4.491 -7.584 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.682 -0.171 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.669 1.526 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.652 2.679 -6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.945 1.682 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.596 2.761 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.438 3.380 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.467 3.611 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.413 5.376 -8.088 1.00 0.00 H new ATOM 378 N CYS A 131 -3.009 1.147 -3.350 1.00 0.00 N ATOM 379 CA CYS A 131 -4.235 0.716 -2.689 1.00 0.00 C ATOM 380 C CYS A 131 -5.432 0.844 -3.626 1.00 0.00 C ATOM 381 O CYS A 131 -5.445 1.689 -4.520 1.00 0.00 O ATOM 382 CB CYS A 131 -4.473 1.542 -1.423 1.00 0.00 C ATOM 383 SG CYS A 131 -5.850 0.942 -0.392 1.00 0.00 S ATOM 0 H CYS A 131 -2.553 1.947 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.122 -0.333 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.561 1.544 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.670 2.575 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 131 -5.530 1.047 0.864 1.00 0.00 H new ATOM 388 N GLU A 132 -6.436 -0.001 -3.413 1.00 0.00 N ATOM 389 CA GLU A 132 -7.638 0.017 -4.239 1.00 0.00 C ATOM 390 C GLU A 132 -8.670 0.991 -3.676 1.00 0.00 C ATOM 391 O GLU A 132 -9.845 0.944 -4.039 1.00 0.00 O ATOM 392 CB GLU A 132 -8.241 -1.386 -4.331 1.00 0.00 C ATOM 393 CG GLU A 132 -8.106 -2.017 -5.707 1.00 0.00 C ATOM 394 CD GLU A 132 -9.165 -1.531 -6.678 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.361 -1.569 -6.319 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.799 -1.114 -7.796 1.00 0.00 O ATOM 0 H GLU A 132 -6.441 -0.706 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.357 0.350 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.757 -2.029 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.297 -1.337 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.118 -1.793 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.174 -3.101 -5.614 1.00 0.00 H new ATOM 403 N ASP A 133 -8.221 1.871 -2.788 1.00 0.00 N ATOM 404 CA ASP A 133 -9.104 2.857 -2.175 1.00 0.00 C ATOM 405 C ASP A 133 -8.728 4.269 -2.611 1.00 0.00 C ATOM 406 O ASP A 133 -7.666 4.777 -2.252 1.00 0.00 O ATOM 407 CB ASP A 133 -9.045 2.747 -0.651 1.00 0.00 C ATOM 408 CG ASP A 133 -9.788 3.875 0.039 1.00 0.00 C ATOM 409 OD1 ASP A 133 -10.693 4.462 -0.589 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.464 4.169 1.209 1.00 0.00 O ATOM 0 H ASP A 133 -7.251 1.922 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.122 2.653 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.471 1.792 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.004 2.751 -0.329 1.00 0.00 H new ATOM 415 N GLN A 134 -9.605 4.897 -3.388 1.00 0.00 N ATOM 416 CA GLN A 134 -9.364 6.250 -3.874 1.00 0.00 C ATOM 417 C GLN A 134 -9.177 7.220 -2.713 1.00 0.00 C ATOM 418 O GLN A 134 -8.553 8.271 -2.863 1.00 0.00 O ATOM 419 CB GLN A 134 -10.523 6.711 -4.759 1.00 0.00 C ATOM 420 CG GLN A 134 -10.419 8.166 -5.189 1.00 0.00 C ATOM 421 CD GLN A 134 -10.695 8.359 -6.667 1.00 0.00 C ATOM 422 OE1 GLN A 134 -9.972 9.079 -7.357 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.745 7.714 -7.162 1.00 0.00 N ATOM 0 H GLN A 134 -10.489 4.490 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.448 6.239 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.564 6.080 -5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.460 6.566 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.124 8.763 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.421 8.539 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -12.317 7.128 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.980 7.805 -8.150 1.00 0.00 H new ATOM 432 N ARG A 135 -9.723 6.862 -1.555 1.00 0.00 N ATOM 433 CA ARG A 135 -9.618 7.702 -0.368 1.00 0.00 C ATOM 434 C ARG A 135 -8.337 7.397 0.402 1.00 0.00 C ATOM 435 O ARG A 135 -8.134 7.891 1.512 1.00 0.00 O ATOM 436 CB ARG A 135 -10.833 7.495 0.538 1.00 0.00 C ATOM 437 CG ARG A 135 -12.133 8.004 -0.061 1.00 0.00 C ATOM 438 CD ARG A 135 -12.309 9.496 0.176 1.00 0.00 C ATOM 439 NE ARG A 135 -13.673 9.830 0.578 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.162 11.065 0.563 1.00 0.00 C ATOM 441 NH1 ARG A 135 -13.403 12.077 0.169 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.414 11.288 0.943 1.00 0.00 N ATOM 0 H ARG A 135 -10.243 5.996 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.588 8.743 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -10.935 6.432 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.658 8.001 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.146 7.801 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.973 7.463 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.613 9.825 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.056 10.040 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.283 9.074 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.441 11.909 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -13.781 13.024 0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.001 10.511 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.789 12.236 0.931 1.00 0.00 H new ATOM 456 N CYS A 136 -7.475 6.580 -0.193 1.00 0.00 N ATOM 457 CA CYS A 136 -6.214 6.207 0.436 1.00 0.00 C ATOM 458 C CYS A 136 -5.034 6.533 -0.475 1.00 0.00 C ATOM 459 O CYS A 136 -4.145 7.300 -0.106 1.00 0.00 O ATOM 460 CB CYS A 136 -6.211 4.716 0.779 1.00 0.00 C ATOM 461 SG CYS A 136 -5.731 4.349 2.497 1.00 0.00 S ATOM 0 H CYS A 136 -7.627 6.163 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.111 6.784 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.206 4.310 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.528 4.200 0.104 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.404 3.323 2.926 1.00 0.00 H new ATOM 466 N GLN A 137 -5.034 5.944 -1.667 1.00 0.00 N ATOM 467 CA GLN A 137 -3.963 6.171 -2.630 1.00 0.00 C ATOM 468 C GLN A 137 -2.598 5.934 -1.993 1.00 0.00 C ATOM 469 O GLN A 137 -1.691 6.758 -2.119 1.00 0.00 O ATOM 470 CB GLN A 137 -4.041 7.595 -3.184 1.00 0.00 C ATOM 471 CG GLN A 137 -5.345 7.898 -3.903 1.00 0.00 C ATOM 472 CD GLN A 137 -5.214 7.815 -5.411 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.106 8.834 -6.093 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.224 6.597 -5.940 1.00 0.00 N ATOM 0 H GLN A 137 -5.763 5.307 -1.988 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.088 5.463 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.915 8.302 -2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.211 7.754 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.110 7.197 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.684 8.896 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.316 5.780 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.140 6.479 -6.950 1.00 0.00 H new ATOM 483 N VAL A 138 -2.458 4.803 -1.309 1.00 0.00 N ATOM 484 CA VAL A 138 -1.203 4.457 -0.652 1.00 0.00 C ATOM 485 C VAL A 138 -0.527 3.279 -1.345 1.00 0.00 C ATOM 486 O VAL A 138 -1.140 2.231 -1.548 1.00 0.00 O ATOM 487 CB VAL A 138 -1.423 4.109 0.832 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.932 5.322 1.596 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.388 2.940 0.967 1.00 0.00 C ATOM 0 H VAL A 138 -3.198 4.111 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.558 5.333 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.467 3.813 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.081 5.056 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.202 6.128 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.878 5.652 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.532 2.707 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.346 3.205 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.978 2.069 0.456 1.00 0.00 H new ATOM 499 N TRP A 139 0.739 3.459 -1.704 1.00 0.00 N ATOM 500 CA TRP A 139 1.499 2.410 -2.374 1.00 0.00 C ATOM 501 C TRP A 139 2.247 1.549 -1.363 1.00 0.00 C ATOM 502 O TRP A 139 2.727 2.048 -0.345 1.00 0.00 O ATOM 503 CB TRP A 139 2.486 3.023 -3.369 1.00 0.00 C ATOM 504 CG TRP A 139 1.819 3.771 -4.484 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.948 4.816 -4.363 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.967 3.529 -5.887 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.546 5.238 -5.607 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.157 4.466 -6.559 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.706 2.614 -6.642 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.067 4.511 -7.947 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.615 2.661 -8.020 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.801 3.604 -8.661 1.00 0.00 C ATOM 0 H TRP A 139 1.260 4.321 -1.543 1.00 0.00 H new ATOM 0 HA TRP A 139 0.796 1.775 -2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.155 3.699 -2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.104 2.231 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.623 5.247 -3.427 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.103 6.003 -5.792 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.337 1.884 -6.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.440 5.237 -8.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.181 1.958 -8.613 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.752 3.615 -9.740 1.00 0.00 H new ATOM 523 N GLN A 140 2.342 0.254 -1.649 1.00 0.00 N ATOM 524 CA GLN A 140 3.031 -0.675 -0.762 1.00 0.00 C ATOM 525 C GLN A 140 3.787 -1.731 -1.561 1.00 0.00 C ATOM 526 O GLN A 140 3.553 -1.904 -2.758 1.00 0.00 O ATOM 527 CB GLN A 140 2.033 -1.350 0.181 1.00 0.00 C ATOM 528 CG GLN A 140 1.463 -0.413 1.234 1.00 0.00 C ATOM 529 CD GLN A 140 1.011 -1.146 2.482 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.290 -2.332 2.655 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.309 -0.440 3.361 1.00 0.00 N ATOM 0 H GLN A 140 1.951 -0.175 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 140 3.750 -0.107 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.214 -1.765 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.524 -2.187 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.217 0.326 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.619 0.132 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.101 0.541 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.022 -0.879 4.220 1.00 0.00 H new ATOM 540 N HIS A 141 4.694 -2.436 -0.893 1.00 0.00 N ATOM 541 CA HIS A 141 5.485 -3.476 -1.541 1.00 0.00 C ATOM 542 C HIS A 141 4.689 -4.774 -1.651 1.00 0.00 C ATOM 543 O HIS A 141 4.234 -5.322 -0.646 1.00 0.00 O ATOM 544 CB HIS A 141 6.779 -3.722 -0.765 1.00 0.00 C ATOM 545 CG HIS A 141 7.634 -2.500 -0.626 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.873 -1.483 -1.487 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.368 -2.220 0.508 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.736 -0.616 -0.864 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 9.019 -1.083 0.339 1.00 0.00 N flip ATOM 0 H HIS A 141 4.900 -2.306 0.098 1.00 0.00 H new ATOM 0 HA HIS A 141 5.733 -3.135 -2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.532 -4.098 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.352 -4.501 -1.267 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.484 -1.380 -2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.405 -2.834 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.121 0.299 -1.288 1.00 0.00 H new ATOM 557 N LEU A 142 4.525 -5.260 -2.877 1.00 0.00 N ATOM 558 CA LEU A 142 3.785 -6.493 -3.118 1.00 0.00 C ATOM 559 C LEU A 142 4.348 -7.639 -2.284 1.00 0.00 C ATOM 560 O LEU A 142 3.600 -8.429 -1.710 1.00 0.00 O ATOM 561 CB LEU A 142 3.831 -6.856 -4.603 1.00 0.00 C ATOM 562 CG LEU A 142 2.660 -6.360 -5.452 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.886 -6.691 -6.919 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.352 -6.963 -4.963 1.00 0.00 C ATOM 0 H LEU A 142 4.895 -4.819 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 142 2.749 -6.329 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.754 -6.458 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.883 -7.941 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 142 2.597 -5.277 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.042 -6.330 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.801 -6.210 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.977 -7.771 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.530 -6.598 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.404 -8.050 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.183 -6.674 -3.926 1.00 0.00 H new ATOM 576 N ASN A 143 5.674 -7.722 -2.222 1.00 0.00 N ATOM 577 CA ASN A 143 6.338 -8.771 -1.456 1.00 0.00 C ATOM 578 C ASN A 143 6.035 -8.633 0.032 1.00 0.00 C ATOM 579 O ASN A 143 6.184 -9.586 0.798 1.00 0.00 O ATOM 580 CB ASN A 143 7.850 -8.719 -1.687 1.00 0.00 C ATOM 581 CG ASN A 143 8.286 -9.585 -2.853 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.727 -10.719 -2.668 1.00 0.00 O ATOM 583 ND2 ASN A 143 8.166 -9.052 -4.064 1.00 0.00 N ATOM 0 H ASN A 143 6.308 -7.076 -2.692 1.00 0.00 H new ATOM 0 HA ASN A 143 5.957 -9.733 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.152 -7.688 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.364 -9.045 -0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.445 -9.587 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.795 -8.108 -4.171 1.00 0.00 H new ATOM 590 N CYS A 144 5.608 -7.441 0.436 1.00 0.00 N ATOM 591 CA CYS A 144 5.283 -7.178 1.833 1.00 0.00 C ATOM 592 C CYS A 144 3.808 -7.452 2.109 1.00 0.00 C ATOM 593 O CYS A 144 3.434 -7.847 3.214 1.00 0.00 O ATOM 594 CB CYS A 144 5.620 -5.729 2.192 1.00 0.00 C ATOM 595 SG CYS A 144 7.392 -5.431 2.493 1.00 0.00 S ATOM 0 H CYS A 144 5.479 -6.642 -0.184 1.00 0.00 H new ATOM 0 HA CYS A 144 5.881 -7.847 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.285 -5.078 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.058 -5.446 3.082 1.00 0.00 H new ATOM 0 HG CYS A 144 7.578 -4.178 2.785 1.00 0.00 H new ATOM 600 N VAL A 145 2.972 -7.239 1.097 1.00 0.00 N ATOM 601 CA VAL A 145 1.538 -7.464 1.229 1.00 0.00 C ATOM 602 C VAL A 145 1.126 -8.780 0.579 1.00 0.00 C ATOM 603 O VAL A 145 -0.062 -9.046 0.389 1.00 0.00 O ATOM 604 CB VAL A 145 0.729 -6.316 0.597 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.852 -5.052 1.433 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.187 -6.067 -0.833 1.00 0.00 C ATOM 0 H VAL A 145 3.264 -6.911 0.176 1.00 0.00 H new ATOM 0 HA VAL A 145 1.321 -7.506 2.296 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.322 -6.605 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.274 -4.252 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.472 -5.241 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 145 1.899 -4.755 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.605 -5.253 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.244 -5.799 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.041 -6.971 -1.424 1.00 0.00 H new ATOM 616 N LEU A 146 2.114 -9.601 0.240 1.00 0.00 N ATOM 617 CA LEU A 146 1.854 -10.892 -0.388 1.00 0.00 C ATOM 618 C LEU A 146 1.594 -11.967 0.662 1.00 0.00 C ATOM 619 O LEU A 146 2.528 -12.510 1.252 1.00 0.00 O ATOM 620 CB LEU A 146 3.037 -11.299 -1.269 1.00 0.00 C ATOM 621 CG LEU A 146 2.772 -11.330 -2.775 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.930 -10.701 -3.534 1.00 0.00 C ATOM 623 CD2 LEU A 146 2.537 -12.759 -3.245 1.00 0.00 C ATOM 0 H LEU A 146 3.102 -9.396 0.389 1.00 0.00 H new ATOM 0 HA LEU A 146 0.963 -10.794 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.860 -10.610 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.372 -12.289 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 146 1.873 -10.749 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.724 -10.732 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.052 -9.665 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.845 -11.254 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 146 2.350 -12.763 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.418 -13.363 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.674 -13.176 -2.725 1.00 0.00 H new ATOM 759 N GLU A 156 0.389 -15.030 -2.597 1.00 0.00 N ATOM 760 CA GLU A 156 -0.259 -14.742 -3.871 1.00 0.00 C ATOM 761 C GLU A 156 -0.479 -13.242 -4.042 1.00 0.00 C ATOM 762 O GLU A 156 -0.634 -12.510 -3.065 1.00 0.00 O ATOM 763 CB GLU A 156 -1.597 -15.478 -3.965 1.00 0.00 C ATOM 764 CG GLU A 156 -2.381 -15.158 -5.227 1.00 0.00 C ATOM 765 CD GLU A 156 -3.714 -15.878 -5.284 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.666 -15.421 -4.618 1.00 0.00 O ATOM 767 OE2 GLU A 156 -3.805 -16.900 -5.997 1.00 0.00 O ATOM 0 HA GLU A 156 0.396 -15.089 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.415 -16.552 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.204 -15.223 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.551 -14.083 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -1.787 -15.432 -6.099 1.00 0.00 H new ATOM 774 N VAL A 157 -0.491 -12.790 -5.293 1.00 0.00 N ATOM 775 CA VAL A 157 -0.692 -11.378 -5.594 1.00 0.00 C ATOM 776 C VAL A 157 -2.091 -11.128 -6.147 1.00 0.00 C ATOM 777 O VAL A 157 -2.342 -11.248 -7.346 1.00 0.00 O ATOM 778 CB VAL A 157 0.348 -10.867 -6.609 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.072 -9.416 -6.972 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.756 -11.028 -6.055 1.00 0.00 C ATOM 0 H VAL A 157 -0.364 -13.382 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.572 -10.834 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 157 0.268 -11.465 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.817 -9.073 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -0.922 -9.334 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 157 0.123 -8.800 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.478 -10.662 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.851 -10.456 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.948 -12.081 -5.851 1.00 0.00 H new ATOM 790 N PRO A 158 -3.025 -10.770 -5.253 1.00 0.00 N ATOM 791 CA PRO A 158 -4.415 -10.494 -5.628 1.00 0.00 C ATOM 792 C PRO A 158 -4.553 -9.207 -6.434 1.00 0.00 C ATOM 793 O PRO A 158 -3.686 -8.333 -6.407 1.00 0.00 O ATOM 794 CB PRO A 158 -5.126 -10.360 -4.279 1.00 0.00 C ATOM 795 CG PRO A 158 -4.058 -9.946 -3.327 1.00 0.00 C ATOM 796 CD PRO A 158 -2.796 -10.607 -3.807 1.00 0.00 C ATOM 0 HA PRO A 158 -4.828 -11.275 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.925 -9.620 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.582 -11.303 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -3.949 -8.862 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.299 -10.257 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -1.919 -9.992 -3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.633 -11.566 -3.315 1.00 0.00 H new ATOM 804 N PRO A 159 -5.669 -9.084 -7.168 1.00 0.00 N ATOM 805 CA PRO A 159 -5.947 -7.906 -7.995 1.00 0.00 C ATOM 806 C PRO A 159 -6.245 -6.668 -7.157 1.00 0.00 C ATOM 807 O PRO A 159 -5.743 -5.579 -7.439 1.00 0.00 O ATOM 808 CB PRO A 159 -7.184 -8.320 -8.797 1.00 0.00 C ATOM 809 CG PRO A 159 -7.850 -9.355 -7.958 1.00 0.00 C ATOM 810 CD PRO A 159 -6.745 -10.086 -7.247 1.00 0.00 C ATOM 0 HA PRO A 159 -5.093 -7.631 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -7.843 -7.470 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -6.908 -8.719 -9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.537 -8.897 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.437 -10.037 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.056 -10.420 -6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.430 -10.972 -7.798 1.00 0.00 H new ATOM 818 N VAL A 160 -7.064 -6.840 -6.125 1.00 0.00 N ATOM 819 CA VAL A 160 -7.428 -5.736 -5.244 1.00 0.00 C ATOM 820 C VAL A 160 -6.590 -5.750 -3.971 1.00 0.00 C ATOM 821 O VAL A 160 -6.606 -6.721 -3.215 1.00 0.00 O ATOM 822 CB VAL A 160 -8.920 -5.788 -4.865 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.280 -7.155 -4.303 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.255 -4.688 -3.869 1.00 0.00 C ATOM 0 H VAL A 160 -7.489 -7.734 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.233 -4.815 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.512 -5.624 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.338 -7.173 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.078 -7.921 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.682 -7.352 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.313 -4.740 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.656 -4.819 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.036 -3.717 -4.312 1.00 0.00 H new ATOM 834 N PHE A 161 -5.859 -4.665 -3.739 1.00 0.00 N ATOM 835 CA PHE A 161 -5.013 -4.552 -2.556 1.00 0.00 C ATOM 836 C PHE A 161 -5.520 -3.451 -1.628 1.00 0.00 C ATOM 837 O PHE A 161 -5.933 -2.384 -2.081 1.00 0.00 O ATOM 838 CB PHE A 161 -3.566 -4.265 -2.963 1.00 0.00 C ATOM 839 CG PHE A 161 -2.777 -3.546 -1.906 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.469 -4.171 -0.708 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.345 -2.246 -2.110 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.742 -3.513 0.266 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.618 -1.583 -1.139 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.318 -2.216 0.051 1.00 0.00 C ATOM 0 H PHE A 161 -5.835 -3.852 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.051 -5.501 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.070 -5.207 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.565 -3.668 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.801 -5.184 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.579 -1.745 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.506 -4.012 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.285 -0.570 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.753 -1.698 0.812 1.00 0.00 H new ATOM 854 N TYR A 162 -5.485 -3.720 -0.328 1.00 0.00 N ATOM 855 CA TYR A 162 -5.943 -2.755 0.664 1.00 0.00 C ATOM 856 C TYR A 162 -4.944 -2.637 1.812 1.00 0.00 C ATOM 857 O TYR A 162 -4.664 -3.611 2.510 1.00 0.00 O ATOM 858 CB TYR A 162 -7.314 -3.161 1.207 1.00 0.00 C ATOM 859 CG TYR A 162 -8.438 -2.979 0.212 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.552 -1.811 -0.531 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.384 -3.977 0.014 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.577 -1.640 -1.440 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.412 -3.816 -0.895 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.505 -2.645 -1.619 1.00 0.00 C ATOM 865 OH TYR A 162 -11.527 -2.480 -2.526 1.00 0.00 O ATOM 0 H TYR A 162 -5.144 -4.598 0.063 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.026 -1.784 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.278 -4.206 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.531 -2.573 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -7.826 -1.023 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.315 -4.894 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.652 -0.724 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.139 -4.602 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.092 -3.281 -2.531 1.00 0.00 H new ATOM 875 N CYS A 163 -4.410 -1.435 2.001 1.00 0.00 N ATOM 876 CA CYS A 163 -3.442 -1.186 3.062 1.00 0.00 C ATOM 877 C CYS A 163 -4.021 -1.558 4.424 1.00 0.00 C ATOM 878 O CYS A 163 -5.142 -2.056 4.517 1.00 0.00 O ATOM 879 CB CYS A 163 -3.018 0.284 3.060 1.00 0.00 C ATOM 880 SG CYS A 163 -4.250 1.414 3.784 1.00 0.00 S ATOM 0 H CYS A 163 -4.632 -0.618 1.433 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.567 -1.809 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.083 0.382 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.817 0.592 2.034 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.505 2.374 2.945 1.00 0.00 H new ATOM 885 N GLU A 164 -3.248 -1.312 5.477 1.00 0.00 N ATOM 886 CA GLU A 164 -3.684 -1.621 6.834 1.00 0.00 C ATOM 887 C GLU A 164 -4.971 -0.876 7.175 1.00 0.00 C ATOM 888 O GLU A 164 -5.920 -1.461 7.698 1.00 0.00 O ATOM 889 CB GLU A 164 -2.590 -1.259 7.840 1.00 0.00 C ATOM 890 CG GLU A 164 -2.106 0.177 7.722 1.00 0.00 C ATOM 891 CD GLU A 164 -0.864 0.444 8.551 1.00 0.00 C ATOM 892 OE1 GLU A 164 0.137 -0.281 8.370 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.894 1.376 9.381 1.00 0.00 O ATOM 0 H GLU A 164 -2.317 -0.900 5.417 1.00 0.00 H new ATOM 0 HA GLU A 164 -3.879 -2.692 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -2.967 -1.425 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.743 -1.932 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.895 0.401 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.901 0.852 8.038 1.00 0.00 H new ATOM 900 N LEU A 165 -4.996 0.417 6.874 1.00 0.00 N ATOM 901 CA LEU A 165 -6.166 1.244 7.149 1.00 0.00 C ATOM 902 C LEU A 165 -7.423 0.626 6.546 1.00 0.00 C ATOM 903 O LEU A 165 -8.382 0.324 7.257 1.00 0.00 O ATOM 904 CB LEU A 165 -5.961 2.654 6.593 1.00 0.00 C ATOM 905 CG LEU A 165 -4.607 3.301 6.888 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.575 4.731 6.371 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.313 3.265 8.381 1.00 0.00 C ATOM 0 H LEU A 165 -4.220 0.916 6.439 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.293 1.301 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.097 2.620 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.744 3.298 6.993 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.834 2.732 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.604 5.175 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.740 4.732 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.358 5.312 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.346 3.730 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.090 3.809 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.293 2.230 8.723 1.00 0.00 H new ATOM 919 N CYS A 166 -7.412 0.438 5.230 1.00 0.00 N ATOM 920 CA CYS A 166 -8.550 -0.146 4.531 1.00 0.00 C ATOM 921 C CYS A 166 -8.775 -1.590 4.970 1.00 0.00 C ATOM 922 O CYS A 166 -9.891 -2.104 4.896 1.00 0.00 O ATOM 923 CB CYS A 166 -8.328 -0.090 3.018 1.00 0.00 C ATOM 924 SG CYS A 166 -8.037 1.588 2.371 1.00 0.00 S ATOM 0 H CYS A 166 -6.627 0.682 4.626 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.437 0.434 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.475 -0.719 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.198 -0.515 2.518 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.294 1.520 1.306 1.00 0.00 H new ATOM 929 N ARG A 167 -7.708 -2.237 5.426 1.00 0.00 N ATOM 930 CA ARG A 167 -7.789 -3.622 5.876 1.00 0.00 C ATOM 931 C ARG A 167 -8.598 -3.727 7.166 1.00 0.00 C ATOM 932 O ARG A 167 -9.520 -4.537 7.269 1.00 0.00 O ATOM 933 CB ARG A 167 -6.387 -4.193 6.093 1.00 0.00 C ATOM 934 CG ARG A 167 -5.849 -4.956 4.894 1.00 0.00 C ATOM 935 CD ARG A 167 -5.648 -6.429 5.215 1.00 0.00 C ATOM 936 NE ARG A 167 -4.301 -6.703 5.708 1.00 0.00 N ATOM 937 CZ ARG A 167 -3.878 -7.913 6.058 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.693 -8.955 5.969 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.637 -8.082 6.497 1.00 0.00 N ATOM 0 H ARG A 167 -6.777 -1.825 5.494 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.293 -4.201 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.704 -3.377 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.404 -4.856 6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.541 -4.856 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -4.902 -4.519 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.378 -6.740 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.835 -7.024 4.321 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.649 -5.923 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.647 -8.829 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.366 -9.883 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.007 -7.283 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.313 -9.011 6.765 1.00 0.00 H new